7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine

C46H29N3 — CID 58037752

About 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine

7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine (PubChem CID 58037752) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine
• PubChem CID: 58037752
• Molecular Formula: C46H29N3
• Molecular Weight: 623.76 g/mol
• Exact Mass: 623.24
• IUPAC Name: 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine
• SMILES: c1ccc(-c2nc3c4ccccc4c4cc(-c5ccc(-c6ccc7ccc8ccccc8c7n6)cc5)ccc4n3c2-c2ccccc2)cc1
• InChI: InChI=1S/C46H29N3/c1-3-12-33(13-4-1)44-45(35-14-5-2-6-15-35)49-42-28-26-36(29-40(42)38-17-9-10-18-39(38)46(49)48-44)30-19-22-32(23-20-30)41-27-25-34-24-21-31-11-7-8-16-37(31)43(34)47-41/h1-29H
• InChIKey: KZZRFZXMXCNHDF-UHFFFAOYSA-N
• XLogP: 12.01
• TPSA: 30.19 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.76
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine?

The IUPAC name of 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine (CID 58037752) is 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine?

The canonical SMILES for 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine is c1ccc(-c2nc3c4ccccc4c4cc(-c5ccc(-c6ccc7ccc8ccccc8c7n6)cc5)ccc4n3c2-c2ccccc2)cc1.

What is the InChIKey of 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine?

The InChIKey is KZZRFZXMXCNHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-3-12-33(13-4-1)44-45(35-14-5-2-6-15-35)49-42-28-26-36(29-40(42)38-17-9-10-18-39(38)46(49)48-44)30-19-22-32(23-20-30)41-27-25-34-24-21-31-11-7-8-16-37(31)43(34)47-41/h1-29H.

What are the key properties of 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine?

7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine has a molecular weight of 623.76 g/mol, XLogP of 12.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58037752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).